MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012168
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012168
RECORD_TITLE: OCTADECANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: OCTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H38
CH$EXACT_MASS: 254.29735
CH$SMILES: CCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
CH$LINK: CAS
593-45-3
CH$LINK: INCHIKEY
RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047172
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0udi-0190000000-e095b5b638fe9b51c642
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
85 4.99 50
99 3.53 35
113 3.5 35
127 3.39 34
141 3.36 34
155 3.19 32
169 3.16 32
183 2.89 29
197 2.96 30
211 2.65 27
225 3.43 34
239 11.76 118
240 2.08 21
253 99.99 999
254 19.58 196
255 1.91 19
//
system version 2.2.6-SNAPSHOT